Geometry & MOs

Info

ID:	106639
PubChem CID:	50171212
Reduced:	ClN5O5C28H34 (1)
Stoich.:	AB5C5D28E34 (1)
Weight, g/mol:	528.213948
ΔH_f, kcal/mol:	-186.4
Dipole, Da:	8.37
IP(EA), eV:	-9.01(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C(=O)NC)Cl

DOS

IR

Vibrations